⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL145744 | 0.80 | GLA (0.39) | — | |
| SCHEMBL8653457 | 0.79 | GLA (0.35) | — | |
| SCHEMBL7467588 | 0.77 | HDAC1 (0.37) | — | |
| SCHEMBL2880798 | 0.77 | ALOX5 (0.39) | — | |
| SCHEMBL8802037 | 0.76 | ALOX5 (0.33) | — | |
| SCHEMBL94688 | 0.76 | — | — | |
| SCHEMBL12311962 | 0.76 | — | — | |
| SCHEMBL8360059 | 0.75 | CES2 (0.34) | — | |
| SCHEMBL324034 | 0.75 | CYP2C19 (0.48) | — | |
| SCHEMBL94536 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100137440-A1 | LYSINE RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH LYSINE RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH LYSINE RIBOSWITCHES | YALE UNIVERSITY (US) | 2010-06-03 | — | — | US | claimed |
| EP-2061799-A2 | METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES | YALE UNIVERSITY (US) | 2009-05-27 | — | — | EP | claimed |
| WO-2008033866-A2 | METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES | YALE UNIVERSITY (US) | 2008-03-20 | — | — | WO | claimed |
| EP-0457773-A4 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | — | 1993-03-10 | — | — | EP | claimed |
| EP-0457773-A1 | N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, Inc. (US) | 1991-11-27 | — | — | EP | claimed |
| WO-1990009178-A1 | N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS | WHITBY RESEARCH, INC. (US) | 1990-08-23 | — | — | WO | claimed |
| US-20130012527-A1 | PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES | YALE UNIVERSITY (US) | 2013-01-10 | — | — | US | disclosed |
| EP-2426219-A1 | Riboswitches and methods and compositions for use of and with riboswitches | Yale University (US) | 2012-03-07 | — | — | EP | disclosed |
| EP-2426218-A1 | Riboswitches and methods and compositions for use of and with riboswitches | Yale University (US) | 2012-03-07 | — | — | EP | disclosed |
| US-20100286082-A1 | RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES | YALE UNIVERSITY (US) | 2010-11-11 | — | — | US | disclosed |
| US-20100152212-A1 | PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES | YALE UNIVERSITY (US) | 2010-06-17 | — | — | US | disclosed |
| US-20100137440-A1 | LYSINE RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH LYSINE RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH LYSINE RIBOSWITCHES | YALE UNIVERSITY (US) | 2010-06-03 | — | — | US | disclosed |
| EP-2164996-A2 | RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES | YALE UNIVERSITY (US) | 2010-03-24 | — | — | EP | disclosed |
| EP-0244803-B1 | Novel dopamine beta hydroxylase inhibitors | MERRELL DOW PHARMA (US) | 1994-10-26 | — | — | EP | disclosed |
| WO-1994019335-A1 | THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-09-01 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |
| EP-0244803-A2 | Novel dopamine beta hydroxylase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-11-11 | — | — | EP | disclosed |
| US-4569942-A | N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents | PFIZER INC. (US) | 1986-02-11 | — | — | US | disclosed |
| US-4053478-A | ARTERIOSCLEROSIS, THROMBOSIS, HYPERTENSION | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) | 1977-10-11 | — | — | US | disclosed |
| US-4012412-A | USEFUL IN THE TREATMENT OF HYPERTENSION, ARTERIOSCLEROSIS, AND THROMBOSIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) | 1977-03-15 | — | — | US | disclosed |